琥珀酸二油脂磺酸钠的合成、结构及水合作用  

Synthesis, Structure and Hydration of Sodium Dioleyl Sulfosuccinate

作　　者：于艳春[1,2] 肖鹤鸣[1] 

机构地区：[1]南京理工大学化工学院分子与材料计算研究所,南京210094 [2]淮海工学院化工学院,江苏连云港222005

出　　处：《物理化学学报》2009年第1期30-34,共5页Acta Physico-Chimica Sinica

基　　金：江苏省教育厅自然科学基金(02KJB150008)资助项目

摘　　要：通过增加磺化反应时间,补加NaHSO3,以液液萃取法代替重结晶法提纯产品,大幅度提高了合成琥珀酸二油酯磺酸钠(SDSS)的产品得率.用量子化学密度泛函理论以及B3LYP/6-31G*方法全优化计算了SDSS阴离子的几何和电子结构,确证其反反-异构体较为稳定,解释了以相关反胶束提取蛋白质的实验事实.还在B3LYP/6-31G*水平上研究了SDSS阴离子的水合作用,报道了SDSS阴离子水合物的几何、电子结构和水合能,阐述了SDSS阴离子的亲水机理.The reaction yield of sodium dioleyl sulfosuccinate （SDSS） was greatly improved by increasing the sulfonation reaction time, by replenishing NaHSO3 during the reaction and by purifying the product using extraction instead of recrystallization. The geometry and electronic structure of the anionic surfactant SDSS were fully optimized with density functional theory at B3LYP/6-31G ^＊ level. The trans isomer was more steady than the cis isomer. This was explained by protein extraction with reversed micelles of SDSS. The interaction between the anionic SDSS with H2O was also calculated at B3LYP/6-31G ^＊ level. The geometry, electronic structure and hydration energy of this interaction is also reported. The hydrophilic mechanism of the anionic SDSS was also determined.

关 键 词：表面活性剂 琥珀酸二油酯磺酸钠 合成 密度泛函理论 水合作用 

分 类 号：TQ423[化学工程]